N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3S/c1-11(17(23)19-13-7-8-14-15(9-13)25-10-24-14)26-18-20-16(21-22-18)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,23)(H,20,21,22)